[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone

C19H23N3O2 — CID 164698223

IUPAC[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCC[C@@]2(CCC[C@H]2O)C1
InChIInChI=1S/C19H23N3O2/c23-17-4-1-9-19(17)10-2-12-21(14-19)18(24)15-5-7-16(8-6-15)22-13-3-11-20-22/h3,5-8,11,13,17,23H,1-2,4,9-10,12,14H2/t17-,19+/m1/s1
InChIKeyQRGVRILSSVTGFX-MJGOQNOKSA-N
MW325.41 g/mol
LogP2.64
Rot. Bonds2

About [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone

[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone (PubChem CID 164698223) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone
PubChem CID164698223
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCC[C@@]2(CCC[C@H]2O)C1
InChIInChI=1S/C19H23N3O2/c23-17-4-1-9-19(17)10-2-12-21(14-19)18(24)15-5-7-16(8-6-15)22-13-3-11-20-22/h3,5-8,11,13,17,23H,1-2,4,9-10,12,14H2/t17-,19+/m1/s1
InChIKeyQRGVRILSSVTGFX-MJGOQNOKSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 164696932
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone
CID 164688862
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120820264
(3S)-3-methyl-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148601
3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119258518
4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione
CID 66083192
(3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 55176659
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 9462299
1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917
(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 114680189
piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119401221
(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67389917

Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone (CID 164698223) is [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@@]2(CCC[C@H]2O)C1.
What is the InChIKey of [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone?
The InChIKey is QRGVRILSSVTGFX-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-17-4-1-9-19(17)10-2-12-21(14-19)18(24)15-5-7-16(8-6-15)22-13-3-11-20-22/h3,5-8,11,13,17,23H,1-2,4,9-10,12,14H2/t17-,19+/m1/s1.
What are the key properties of [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone?
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone has a molecular weight of 325.41 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 164698223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).